SCHEMBL144462

SCHEMBL144462

[c]1ccc2c(-c3ccccc3)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9989150 0.90 CA12 (0.40) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL9958337 0.87 HPRT1 (0.39) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL18317657 0.86 CDK4 (0.38) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL6274844 0.86 ALDH1A1 (0.33) ALDH1A1HPGDCYP1A2HSD17B10TP53
SCHEMBL2255304 0.85 TNF (0.49) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL2268337 0.84 CYP1A2 (0.41) ALDH1A1HPGDKDM4EMAPTCYP1A2
SCHEMBL9989292 0.84 CYP17A1 (0.39) TNFCYP2C9CYP2C19CYP1A2CA12
SCHEMBL2265426 0.82 GSTP1 (0.46) KDM4ECYP2C9CYP2C19CYP1A2HSD17B1
SCHEMBL2256360 0.81 TNF (0.39) TNFALDH1A1HPGDKDM4EMAPT
SCHEMBL2252453 0.81 TNF (0.39) TNFALDH1A1HPGDKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 — — US claimed
EP-2611774-B1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-18 — — EP claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 — — EP claimed
US-8759533-B2 Di-azetidinyl diamide as monoacylglcerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 — — US claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 — — US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 — — EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 — — US claimed
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-08-01 — — US claimed
EP-2611774-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-07-10 — — EP claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 — — US claimed
WO-2012030907-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-03-08 — — WO claimed
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-08 — — US claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 — — EP claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 — — EP claimed
EP-1496892-B1 1H-BENZO(F)INDAZOL-5-YL DERIVATIVES AS SELECTIVE GLUCOCORTICOID RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-01-26 — — EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 — — US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 — — WO claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 — — WO claimed
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 — — CN disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP TNF 818/4885ALDH1A1 779/4885HPGD 500/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TNF 2568/4885ALDH1A1 364/4885HPGD 731/4885
US-20130196968-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL TNF 2746/4885ALDH1A1 636/4885HPGD 854/4885
US-20120058986-A1 DI-AZETIDINYL DIAMIDE AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TNF 2203/4885ALDH1A1 554/4885HPGD 515/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TNF 2568/4885ALDH1A1 364/4885HPGD 731/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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